============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. TYR 4 0.840 20.445 1.945 -10.076 -99.200 -91.000 TYR 17 0.840 5.912 3.084 -3.756 -99.200 -91.000 HIS 24 0.900 1.145 -6.414 -7.260 -99.200 -91.000 PHE 34 1.000 21.440 -11.283 -11.886 -99.200 -91.000 HIS 41 0.900 18.590 -4.290 1.898 -99.200 -91.000 HIS 63 0.900 4.371 -18.332 -0.150 -99.200 -91.000 PHE 69 1.000 15.768 -12.679 11.453 -99.200 -91.000 HIS 78 0.900 21.949 -8.869 4.476 -99.200 -91.000 PHE 86 1.000 9.862 -17.158 -4.663 -99.200 -91.000 PHE 98 1.000 13.637 -9.874 7.701 -99.200 -91.000 HIS 105 0.900 14.401 -12.083 17.027 -99.200 -91.000 PHE 114 1.000 12.946 -4.332 16.724 -99.200 -91.000 TYR 119 0.840 14.756 2.467 2.870 -99.200 -91.000 HIS 133 0.900 4.000 -0.377 11.663 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ov7A1 GLY 4 HA2 0.03 0.07 0.16 -0.51 4.01 3.75 2ov7A1 GLY 4 HA3 0.03 -0.07 0.26 -0.51 4.01 3.72 2ov7A1 LYS 5 H 0.03 0.16 0.13 -0.55 8.42 8.19 2ov7A1 LYS 5 HA 0.04 0.13 0.55 -0.75 4.32 4.28 2ov7A1 LYS 5 HB2 0.02 0.05 0.07 -0.04 1.87 1.96 2ov7A1 LYS 5 HB3 0.02 0.03 0.09 -0.04 1.79 1.89 2ov7A1 LYS 5 HG2 0.02 -0.05 0.10 -0.04 1.46 1.49 2ov7A1 LYS 5 HG3 0.02 0.03 -0.13 -0.04 1.46 1.34 2ov7A1 LYS 5 HD2 0.01 0.01 0.01 -0.04 1.69 1.69 2ov7A1 LYS 5 HD3 0.01 0.01 -0.00 -0.04 1.68 1.66 2ov7A1 LYS 5 HE2 0.01 0.01 -0.06 -0.04 2.99 2.91 2ov7A1 LYS 5 HE3 0.01 0.01 -0.02 -0.04 2.99 2.94 2ov7A1 ARG 6 H 0.05 0.09 -0.12 -0.55 8.46 7.92 2ov7A1 ARG 6 HA 0.03 0.11 0.47 -0.75 4.34 4.19 2ov7A1 ARG 6 HB2 0.04 -0.02 0.09 -0.04 1.90 1.96 2ov7A1 ARG 6 HB3 0.06 0.02 0.06 -0.04 1.80 1.90 2ov7A1 ARG 6 HG2 0.03 0.02 0.03 -0.04 1.67 1.71 2ov7A1 ARG 6 HG3 0.04 -0.01 -0.00 -0.04 1.67 1.65 2ov7A1 ARG 6 HD2 0.08 -0.01 -0.10 -0.04 3.22 3.15 2ov7A1 ARG 6 HD3 0.10 0.06 -0.62 -0.04 3.22 2.72 2ov7A1 TYR 7 H 0.16 0.17 -0.29 -0.55 8.29 7.78 2ov7A1 TYR 7 HA -0.00 0.16 0.51 -0.75 4.56 4.47 2ov7A1 TYR 7 HB2 0.00 -0.00 0.05 -0.04 3.06 3.06 2ov7A1 TYR 7 HB3 -0.00 0.16 0.09 -0.04 2.98 3.19 2ov7A1 TYR 7 HD2 -0.01 0.06 -0.10 -0.04 7.15 7.06 2ov7A1 TYR 7 HE2 -0.02 0.03 -0.25 -0.04 6.85 6.58 2ov7A1 ARG 8 H 0.10 0.34 -0.10 -0.55 8.46 8.25 2ov7A1 ARG 8 HA -0.09 0.06 0.42 -0.75 4.34 3.97 2ov7A1 ARG 8 HB2 0.03 0.01 0.13 -0.04 1.90 2.02 2ov7A1 ARG 8 HB3 0.01 -0.02 0.08 -0.04 1.80 1.83 2ov7A1 ARG 8 HG2 0.09 -0.02 0.03 -0.04 1.67 1.72 2ov7A1 ARG 8 HG3 0.14 0.18 0.09 -0.04 1.67 2.04 2ov7A1 ARG 8 HD2 0.04 -0.04 -0.06 -0.04 3.22 3.12 2ov7A1 ARG 8 HD3 0.03 -0.02 -0.00 -0.04 3.22 3.19 2ov7A1 ALA 9 H -0.02 0.30 -0.53 -0.55 8.40 7.60 2ov7A1 ALA 9 HA -0.02 0.04 0.53 -0.75 4.34 4.14 2ov7A1 ALA 9 HB3 -0.01 0.05 0.09 -0.04 1.41 1.50 2ov7A1 LEU 10 H -0.12 0.36 -0.31 -0.55 8.37 7.75 2ov7A1 LEU 10 HA -0.07 0.11 0.61 -0.75 4.35 4.24 2ov7A1 LEU 10 HB2 -0.23 0.22 0.19 -0.04 1.64 1.78 2ov7A1 LEU 10 HB3 -0.15 -0.02 0.09 -0.04 1.64 1.52 2ov7A1 LEU 10 HG -0.06 0.00 0.05 -0.04 1.64 1.59 2ov7A1 LEU 10 HD13 -0.04 0.04 -0.04 -0.04 0.93 0.85 2ov7A1 LEU 10 HD23 -0.05 -0.00 0.05 -0.04 0.89 0.85 2ov7A1 LEU 11 H -0.16 0.19 -0.25 -0.55 8.37 7.60 2ov7A1 LEU 11 HA -0.11 0.09 0.55 -0.75 4.35 4.14 2ov7A1 LEU 11 HB2 -0.10 0.10 0.15 -0.04 1.64 1.75 2ov7A1 LEU 11 HB3 -0.05 0.01 0.02 -0.04 1.64 1.58 2ov7A1 LEU 11 HG -0.12 0.00 0.05 -0.04 1.64 1.53 2ov7A1 LEU 11 HD13 -0.56 -0.01 -0.06 -0.04 0.93 0.25 2ov7A1 LEU 11 HD23 -0.01 -0.01 0.00 -0.04 0.89 0.83 2ov7A1 GLU 12 H -0.05 0.21 -0.36 -0.55 8.60 7.86 2ov7A1 GLU 12 HA -0.01 0.08 0.47 -0.75 4.29 4.08 2ov7A1 GLU 12 HB2 -0.02 0.01 0.11 -0.04 2.09 2.15 2ov7A1 GLU 12 HB3 -0.02 0.11 0.01 -0.04 1.99 2.06 2ov7A1 GLU 12 HG2 -0.00 -0.04 0.01 -0.04 2.34 2.26 2ov7A1 GLU 12 HG3 -0.00 0.00 0.03 -0.04 2.34 2.34 2ov7A1 LYS 13 H -0.03 0.15 -0.53 -0.55 8.42 7.46 2ov7A1 LYS 13 HA 0.01 0.04 0.49 -0.75 4.32 4.10 2ov7A1 LYS 13 HB2 -0.04 0.19 0.06 -0.04 1.87 2.04 2ov7A1 LYS 13 HB3 -0.02 -0.08 0.03 -0.04 1.79 1.69 2ov7A1 LYS 13 HG2 -0.01 -0.06 -0.01 -0.04 1.46 1.33 2ov7A1 LYS 13 HG3 -0.03 0.09 0.06 -0.04 1.46 1.54 2ov7A1 LYS 13 HD2 -0.04 0.03 0.03 -0.04 1.69 1.67 2ov7A1 LYS 13 HD3 -0.02 -0.05 -0.02 -0.04 1.68 1.55 2ov7A1 LYS 13 HE2 -0.02 -0.07 -0.01 -0.04 2.99 2.85 2ov7A1 LYS 13 HE3 -0.03 0.14 -0.06 -0.04 2.99 3.00 2ov7A1 VAL 14 H -0.02 0.18 -0.29 -0.55 8.24 7.56 2ov7A1 VAL 14 HA 0.06 -0.00 0.65 -0.75 4.13 4.09 2ov7A1 VAL 14 HB 0.00 0.03 0.09 -0.04 2.12 2.21 2ov7A1 VAL 14 HG13 0.05 0.06 -0.03 -0.04 0.97 1.01 2ov7A1 VAL 14 HG23 -0.07 0.04 -0.04 -0.04 0.95 0.84 2ov7A1 ASP 15 H 0.35 0.07 0.13 -0.55 8.40 8.41 2ov7A1 ASP 15 HA 0.06 0.17 0.55 -0.75 4.63 4.66 2ov7A1 ASP 15 HB2 0.08 0.05 0.09 -0.04 2.71 2.88 2ov7A1 ASP 15 HB3 -0.03 -0.07 0.12 -0.04 2.70 2.69 2ov7A1 PRO 16 HA 0.05 0.09 0.38 -0.51 4.44 4.45 2ov7A1 PRO 16 HB2 0.02 -0.11 0.15 -0.04 2.28 2.29 2ov7A1 PRO 16 HB3 0.02 0.02 0.09 -0.04 2.02 2.12 2ov7A1 PRO 16 HG2 0.01 -0.01 0.11 -0.04 2.03 2.10 2ov7A1 PRO 16 HG3 0.02 0.10 0.12 -0.04 2.03 2.23 2ov7A1 PRO 16 HD2 0.02 0.00 0.22 -0.04 3.68 3.88 2ov7A1 PRO 16 HD3 0.03 0.46 0.34 -0.04 3.65 4.45 2ov7A1 ASN 17 H 0.01 0.08 -0.11 -0.55 8.53 7.97 2ov7A1 ASN 17 HA 0.03 0.27 0.84 -0.75 4.76 5.14 2ov7A1 ASN 17 HB2 0.00 -0.03 0.09 -0.04 2.88 2.90 2ov7A1 ASN 17 HB3 0.00 0.00 0.17 -0.04 2.79 2.92 2ov7A1 ASN 17 HD21 0.01 0.01 -0.04 -0.04 7.03 6.97 2ov7A1 ASN 17 HD22 0.01 -0.01 -0.00 -0.04 7.74 7.69 2ov7A1 LYS 18 H 0.00 0.46 -0.39 -0.55 8.42 7.94 2ov7A1 LYS 18 HA -0.10 0.13 0.89 -0.75 4.32 4.49 2ov7A1 LYS 18 HB2 -0.16 -0.04 -0.08 -0.04 1.87 1.56 2ov7A1 LYS 18 HB3 -0.26 0.06 0.06 -0.04 1.79 1.61 2ov7A1 LYS 18 HG2 -0.72 -0.01 -0.47 -0.04 1.46 0.21 2ov7A1 LYS 18 HG3 -0.28 0.00 -0.07 -0.04 1.46 1.07 2ov7A1 LYS 18 HD2 -0.27 0.00 -0.04 -0.04 1.69 1.35 2ov7A1 LYS 18 HD3 -0.73 -0.00 -0.03 -0.04 1.68 0.89 2ov7A1 LYS 18 HE2 -0.27 0.00 -0.02 -0.04 2.99 2.66 2ov7A1 LYS 18 HE3 -0.83 -0.07 -0.09 -0.04 2.99 1.96 2ov7A1 ILE 19 H -0.09 0.15 0.07 -0.55 8.25 7.83 2ov7A1 ILE 19 HA 0.02 0.27 0.78 -0.75 4.18 4.50 2ov7A1 ILE 19 HB -0.03 -0.06 0.15 -0.04 1.89 1.91 2ov7A1 ILE 19 HG12 -0.03 0.05 -0.13 -0.04 1.49 1.34 2ov7A1 ILE 19 HG13 -0.02 -0.03 -0.17 -0.04 1.21 0.94 2ov7A1 ILE 19 HG23 -0.01 0.01 -0.28 -0.04 0.93 0.61 2ov7A1 ILE 19 HD13 -0.01 -0.00 -0.02 -0.04 0.88 0.80 2ov7A1 TYR 20 H 0.28 0.59 0.21 -0.55 8.29 8.82 2ov7A1 TYR 20 HA 0.00 0.03 0.46 -0.75 4.56 4.30 2ov7A1 TYR 20 HB2 0.01 0.12 0.04 -0.04 3.06 3.18 2ov7A1 TYR 20 HB3 0.01 -0.15 0.12 -0.04 2.98 2.93 2ov7A1 TYR 20 HD2 0.01 0.07 0.05 -0.04 7.15 7.24 2ov7A1 TYR 20 HE2 0.01 0.08 0.07 -0.04 6.85 6.97 2ov7A1 THR 21 H 0.15 0.06 0.21 -0.55 8.28 8.15 2ov7A1 THR 21 HA 0.06 0.26 0.88 -0.75 4.39 4.82 2ov7A1 THR 21 HB 0.05 -0.06 0.22 -0.04 4.32 4.49 2ov7A1 THR 21 HG23 0.04 0.06 0.06 -0.04 1.22 1.33 2ov7A1 ILE 22 H 0.04 0.22 0.18 -0.55 8.25 8.14 2ov7A1 ILE 22 HA 0.03 0.15 0.40 -0.75 4.18 4.00 2ov7A1 ILE 22 HB 0.03 -0.02 0.11 -0.04 1.89 1.97 2ov7A1 ILE 22 HG12 0.01 0.00 -0.09 -0.04 1.49 1.37 2ov7A1 ILE 22 HG13 0.01 0.04 0.03 -0.04 1.21 1.25 2ov7A1 ILE 22 HG23 0.02 0.02 -0.01 -0.04 0.93 0.92 2ov7A1 ILE 22 HD13 -0.01 0.11 -0.03 -0.04 0.88 0.92 2ov7A1 ASP 23 H 0.06 0.04 -0.14 -0.55 8.40 7.82 2ov7A1 ASP 23 HA 0.08 0.17 0.48 -0.75 4.63 4.60 2ov7A1 ASP 23 HB2 0.07 -0.03 0.05 -0.04 2.71 2.76 2ov7A1 ASP 23 HB3 0.12 0.06 0.00 -0.04 2.70 2.85 2ov7A1 GLU 24 H 0.10 0.02 -0.26 -0.55 8.60 7.92 2ov7A1 GLU 24 HA 0.13 0.14 0.55 -0.75 4.29 4.35 2ov7A1 GLU 24 HB2 0.21 -0.07 0.20 -0.04 2.09 2.39 2ov7A1 GLU 24 HB3 0.30 0.11 0.03 -0.04 1.99 2.39 2ov7A1 GLU 24 HG2 0.09 0.09 0.05 -0.04 2.34 2.53 2ov7A1 GLU 24 HG3 0.09 -0.08 0.05 -0.04 2.34 2.35 2ov7A1 ALA 25 H 0.06 0.43 -0.15 -0.55 8.40 8.18 2ov7A1 ALA 25 HA -0.14 0.08 0.46 -0.75 4.34 3.98 2ov7A1 ALA 25 HB3 -0.04 0.04 -0.02 -0.04 1.41 1.36 2ov7A1 ALA 26 H 0.03 0.20 -0.45 -0.55 8.40 7.63 2ov7A1 ALA 26 HA -0.06 0.07 0.36 -0.75 4.34 3.95 2ov7A1 ALA 26 HB3 -0.10 0.07 0.13 -0.04 1.41 1.47 2ov7A1 HIS 27 H 0.15 0.24 -0.28 -0.55 8.41 7.97 2ov7A1 HIS 27 HA -0.01 0.13 0.64 -0.75 4.63 4.63 2ov7A1 HIS 27 HB2 -0.01 0.08 0.11 -0.04 3.26 3.40 2ov7A1 HIS 27 HB3 -0.01 0.00 0.03 -0.04 3.20 3.19 2ov7A1 HIS 27 HD2 -0.00 0.02 0.03 -0.04 6.97 6.97 2ov7A1 HIS 27 HE1 0.01 -0.06 -0.01 -0.04 7.75 7.65 2ov7A1 LEU 28 H 0.03 0.33 -0.08 -0.55 8.37 8.10 2ov7A1 LEU 28 HA -0.02 0.06 0.42 -0.75 4.35 4.06 2ov7A1 LEU 28 HB2 -0.10 0.04 0.12 -0.04 1.64 1.66 2ov7A1 LEU 28 HB3 -0.17 -0.02 0.15 -0.04 1.64 1.56 2ov7A1 LEU 28 HG -0.16 0.03 -0.19 -0.04 1.64 1.28 2ov7A1 LEU 28 HD13 -0.06 -0.00 -0.04 -0.04 0.93 0.79 2ov7A1 LEU 28 HD23 -0.57 -0.01 -0.04 -0.04 0.89 0.23 2ov7A1 VAL 29 H -0.05 0.61 -0.21 -0.55 8.24 8.04 2ov7A1 VAL 29 HA -0.06 0.07 0.33 -0.75 4.13 3.73 2ov7A1 VAL 29 HB -0.05 0.09 0.01 -0.04 2.12 2.13 2ov7A1 VAL 29 HG13 -0.05 0.02 -0.16 -0.04 0.97 0.73 2ov7A1 VAL 29 HG23 -0.04 -0.02 -0.16 -0.04 0.95 0.69 2ov7A1 LYS 30 H -0.03 0.21 -0.51 -0.55 8.42 7.54 2ov7A1 LYS 30 HA -0.03 0.04 0.46 -0.75 4.32 4.04 2ov7A1 LYS 30 HB2 -0.02 0.10 0.12 -0.04 1.87 2.04 2ov7A1 LYS 30 HB3 -0.02 -0.03 0.04 -0.04 1.79 1.74 2ov7A1 LYS 30 HG2 -0.02 0.20 0.09 -0.04 1.46 1.68 2ov7A1 LYS 30 HG3 -0.05 0.04 0.05 -0.04 1.46 1.46 2ov7A1 LYS 30 HD2 -0.06 0.02 -0.05 -0.04 1.69 1.55 2ov7A1 LYS 30 HD3 -0.09 -0.11 0.08 -0.04 1.68 1.52 2ov7A1 LYS 30 HE2 -0.03 -0.17 0.03 -0.04 2.99 2.78 2ov7A1 LYS 30 HE3 -0.01 -0.06 0.02 -0.04 2.99 2.90 2ov7A1 GLU 31 H -0.02 0.28 -0.28 -0.55 8.60 8.03 2ov7A1 GLU 31 HA -0.01 0.06 0.59 -0.75 4.29 4.17 2ov7A1 GLU 31 HB2 -0.02 0.16 0.14 -0.04 2.09 2.32 2ov7A1 GLU 31 HB3 -0.01 -0.06 0.08 -0.04 1.99 1.95 2ov7A1 GLU 31 HG2 0.01 -0.05 0.03 -0.04 2.34 2.28 2ov7A1 GLU 31 HG3 0.02 0.23 0.07 -0.04 2.34 2.62 2ov7A1 LEU 32 H -0.04 0.25 -0.37 -0.55 8.37 7.66 2ov7A1 LEU 32 HA -0.04 0.10 0.60 -0.75 4.35 4.25 2ov7A1 LEU 32 HB2 -0.05 0.02 0.13 -0.04 1.64 1.71 2ov7A1 LEU 32 HB3 -0.06 -0.08 0.23 -0.04 1.64 1.69 2ov7A1 LEU 32 HG -0.06 0.24 0.04 -0.04 1.64 1.82 2ov7A1 LEU 32 HD13 -0.08 -0.03 -0.10 -0.04 0.93 0.67 2ov7A1 LEU 32 HD23 -0.07 -0.02 -0.00 -0.04 0.89 0.76 2ov7A1 ALA 33 H -0.04 0.36 -0.72 -0.55 8.40 7.46 2ov7A1 ALA 33 HA -0.06 0.06 0.86 -0.75 4.34 4.45 2ov7A1 ALA 33 HB3 -0.08 0.03 -0.02 -0.04 1.41 1.30 2ov7A1 THR 34 H -0.10 0.08 0.15 -0.55 8.28 7.86 2ov7A1 THR 34 HA -0.03 0.24 0.77 -0.75 4.39 4.61 2ov7A1 THR 34 HB -0.01 0.10 0.05 -0.04 4.32 4.41 2ov7A1 THR 34 HG23 -0.06 -0.05 0.03 -0.04 1.22 1.10 2ov7A1 ALA 35 H -0.02 0.18 0.09 -0.55 8.40 8.10 2ov7A1 ALA 35 HA -0.04 0.17 0.56 -0.75 4.34 4.28 2ov7A1 ALA 35 HB3 -0.01 0.02 0.10 -0.04 1.41 1.48 2ov7A1 LYS 36 H -0.02 0.07 -0.56 -0.55 8.42 7.35 2ov7A1 LYS 36 HA 0.06 0.15 0.65 -0.75 4.32 4.42 2ov7A1 LYS 36 HB2 0.19 -0.07 0.10 -0.04 1.87 2.05 2ov7A1 LYS 36 HB3 0.14 0.03 0.00 -0.04 1.79 1.92 2ov7A1 LYS 36 HG2 0.04 -0.10 -0.04 -0.04 1.46 1.32 2ov7A1 LYS 36 HG3 0.08 0.03 -0.01 -0.04 1.46 1.53 2ov7A1 LYS 36 HD2 0.05 0.02 -0.02 -0.04 1.69 1.70 2ov7A1 LYS 36 HD3 0.04 0.06 -0.18 -0.04 1.68 1.55 2ov7A1 LYS 36 HE2 0.02 -0.06 -0.06 -0.04 2.99 2.85 2ov7A1 LYS 36 HE3 0.03 0.01 -0.03 -0.04 2.99 2.97 2ov7A1 PHE 37 H 0.03 0.16 0.03 -0.55 8.34 8.01 2ov7A1 PHE 37 HA 0.01 0.17 0.75 -0.75 4.62 4.80 2ov7A1 PHE 37 HB2 0.01 0.04 0.04 -0.04 3.15 3.20 2ov7A1 PHE 37 HB3 0.00 0.01 -0.07 -0.04 3.06 2.97 2ov7A1 PHE 37 HD2 0.00 0.02 -0.09 -0.04 7.28 7.17 2ov7A1 PHE 37 HE2 0.00 -0.00 -0.01 -0.04 7.38 7.33 2ov7A1 PHE 37 HZ 0.00 0.01 -0.03 -0.04 7.32 7.25 2ov7A1 ASP 38 H 0.06 0.15 0.02 -0.55 8.40 8.09 2ov7A1 ASP 38 HA -0.11 0.07 0.43 -0.75 4.63 4.27 2ov7A1 ASP 38 HB2 0.02 0.05 0.11 -0.04 2.71 2.85 2ov7A1 ASP 38 HB3 0.04 0.00 0.12 -0.04 2.70 2.83 2ov7A1 GLU 39 H -0.23 0.18 0.29 -0.55 8.60 8.28 2ov7A1 GLU 39 HA -0.21 0.09 0.66 -0.75 4.29 4.07 2ov7A1 GLU 39 HB2 -0.17 0.04 0.17 -0.04 2.09 2.08 2ov7A1 GLU 39 HB3 -0.14 -0.13 0.11 -0.04 1.99 1.79 2ov7A1 GLU 39 HG2 -0.77 0.00 0.09 -0.04 2.34 1.62 2ov7A1 GLU 39 HG3 -0.57 0.21 0.21 -0.04 2.34 2.14 2ov7A1 THR 40 H 0.01 0.12 0.24 -0.55 8.28 8.09 2ov7A1 THR 40 HA -0.07 0.12 0.75 -0.75 4.39 4.44 2ov7A1 THR 40 HB 0.00 -0.05 0.13 -0.04 4.32 4.36 2ov7A1 THR 40 HG23 -0.06 0.05 -0.00 -0.04 1.22 1.17 2ov7A1 VAL 41 H -0.13 0.51 0.14 -0.55 8.24 8.22 2ov7A1 VAL 41 HA -0.05 0.15 0.63 -0.75 4.13 4.11 2ov7A1 VAL 41 HB -0.15 -0.05 -0.25 -0.04 2.12 1.64 2ov7A1 VAL 41 HG13 -0.06 0.00 -0.26 -0.04 0.97 0.61 2ov7A1 VAL 41 HG23 -0.08 -0.01 -0.39 -0.04 0.95 0.42 2ov7A1 GLU 42 H -0.01 0.81 0.34 -0.55 8.60 9.19 2ov7A1 GLU 42 HA -0.14 0.21 1.02 -0.75 4.29 4.62 2ov7A1 GLU 42 HB2 0.07 0.09 -0.04 -0.04 2.09 2.17 2ov7A1 GLU 42 HB3 -0.22 -0.06 -0.07 -0.04 1.99 1.60 2ov7A1 GLU 42 HG2 -0.06 -0.03 -0.25 -0.04 2.34 1.95 2ov7A1 GLU 42 HG3 -0.03 -0.02 -0.52 -0.04 2.34 1.73 2ov7A1 VAL 43 H -0.28 0.44 0.29 -0.55 8.24 8.15 2ov7A1 VAL 43 HA 0.04 0.33 1.14 -0.75 4.13 4.88 2ov7A1 VAL 43 HB -0.16 0.01 0.10 -0.04 2.12 2.03 2ov7A1 VAL 43 HG13 0.20 -0.01 -0.20 -0.04 0.97 0.92 2ov7A1 VAL 43 HG23 -0.01 -0.01 -0.16 -0.04 0.95 0.73 2ov7A1 HIS 44 H 0.25 0.77 0.33 -0.55 8.41 9.20 2ov7A1 HIS 44 HA 0.13 0.31 1.06 -0.75 4.63 5.37 2ov7A1 HIS 44 HB2 0.13 -0.04 0.12 -0.04 3.26 3.43 2ov7A1 HIS 44 HB3 0.08 -0.01 -0.07 -0.04 3.20 3.16 2ov7A1 HIS 44 HD2 0.04 -0.01 -0.14 -0.04 6.97 6.82 2ov7A1 HIS 44 HE1 -0.01 0.06 -0.21 -0.04 7.75 7.54 2ov7A1 ALA 45 H 0.14 0.74 0.31 -0.55 8.40 9.04 2ov7A1 ALA 45 HA 0.09 0.38 1.21 -0.75 4.34 5.27 2ov7A1 ALA 45 HB3 -0.01 -0.01 -0.02 -0.04 1.41 1.34 2ov7A1 LYS 46 H 0.06 0.51 0.25 -0.55 8.42 8.68 2ov7A1 LYS 46 HA 0.01 0.05 0.64 -0.75 4.32 4.26 2ov7A1 LYS 46 HB2 0.08 -0.03 0.05 -0.04 1.87 1.93 2ov7A1 LYS 46 HB3 0.03 -0.18 0.21 -0.04 1.79 1.81 2ov7A1 LYS 46 HG2 0.02 0.03 -0.15 -0.04 1.46 1.32 2ov7A1 LYS 46 HG3 0.03 -0.04 -0.04 -0.04 1.46 1.37 2ov7A1 LYS 46 HD2 -0.00 -0.16 -0.12 -0.04 1.69 1.37 2ov7A1 LYS 46 HD3 -0.03 0.26 -0.52 -0.04 1.68 1.35 2ov7A1 LYS 46 HE2 0.01 -0.10 -0.02 -0.04 2.99 2.84 2ov7A1 LYS 46 HE3 -0.01 -0.02 -0.05 -0.04 2.99 2.88 2ov7A1 LEU 47 H -0.08 0.63 0.37 -0.55 8.37 8.73 2ov7A1 LEU 47 HA -0.43 0.15 0.74 -0.75 4.35 4.05 2ov7A1 LEU 47 HB2 -0.14 0.11 0.19 -0.04 1.64 1.76 2ov7A1 LEU 47 HB3 -0.49 -0.10 0.12 -0.04 1.64 1.13 2ov7A1 LEU 47 HG -0.12 0.08 0.11 -0.04 1.64 1.67 2ov7A1 LEU 47 HD13 0.01 -0.01 -0.04 -0.04 0.93 0.84 2ov7A1 LEU 47 HD23 -0.47 -0.02 -0.10 -0.04 0.89 0.26 2ov7A1 GLY 48 H -0.38 0.67 0.38 -0.55 8.43 8.54 2ov7A1 GLY 48 HA2 -0.05 0.03 0.40 -0.51 4.01 3.88 2ov7A1 GLY 48 HA3 -0.04 0.09 0.37 -0.51 4.01 3.92 2ov7A1 ILE 49 H -0.09 -0.01 -0.35 -0.55 8.25 7.26 2ov7A1 ILE 49 HA 0.06 -0.00 0.41 -0.75 4.18 3.89 2ov7A1 ILE 49 HB 0.08 0.07 0.02 -0.04 1.89 2.02 2ov7A1 ILE 49 HG12 0.08 -0.02 -0.07 -0.04 1.49 1.44 2ov7A1 ILE 49 HG13 -0.03 -0.05 -0.07 -0.04 1.21 1.02 2ov7A1 ILE 49 HG23 0.23 -0.01 -0.01 -0.04 0.93 1.10 2ov7A1 ILE 49 HD13 0.03 0.05 -0.38 -0.04 0.88 0.54 2ov7A1 ASP 50 H 0.04 0.05 0.19 -0.55 8.40 8.13 2ov7A1 ASP 50 HA 0.02 0.23 0.65 -0.75 4.63 4.78 2ov7A1 ASP 50 HB2 0.02 0.06 0.16 -0.04 2.71 2.92 2ov7A1 ASP 50 HB3 0.03 -0.13 0.25 -0.04 2.70 2.81 2ov7A1 PRO 51 HA 0.03 0.16 0.36 -0.51 4.44 4.48 2ov7A1 PRO 51 HB2 0.02 0.03 0.07 -0.04 2.28 2.36 2ov7A1 PRO 51 HB3 0.02 -0.04 -0.06 -0.04 2.02 1.90 2ov7A1 PRO 51 HG2 0.01 -0.01 -0.07 -0.04 2.03 1.93 2ov7A1 PRO 51 HG3 0.01 0.09 -0.23 -0.04 2.03 1.86 2ov7A1 PRO 51 HD2 0.01 0.00 0.20 -0.04 3.68 3.85 2ov7A1 PRO 51 HD3 0.01 0.44 0.24 -0.04 3.65 4.30 2ov7A1 ARG 52 H 0.02 -0.04 -0.72 -0.55 8.46 7.17 2ov7A1 ARG 52 HA 0.02 0.25 0.90 -0.75 4.34 4.75 2ov7A1 ARG 52 HB2 0.01 -0.02 0.06 -0.04 1.90 1.91 2ov7A1 ARG 52 HB3 0.01 0.03 -0.11 -0.04 1.80 1.69 2ov7A1 ARG 52 HG2 0.02 -0.04 -0.06 -0.04 1.67 1.55 2ov7A1 ARG 52 HG3 0.02 -0.01 -0.24 -0.04 1.67 1.40 2ov7A1 ARG 52 HD2 0.01 -0.01 -0.05 -0.04 3.22 3.13 2ov7A1 ARG 52 HD3 0.01 0.02 -0.04 -0.04 3.22 3.17 2ov7A1 ARG 53 H 0.02 0.23 0.06 -0.55 8.46 8.21 2ov7A1 ARG 53 HA 0.02 0.04 0.50 -0.75 4.34 4.15 2ov7A1 ARG 53 HB2 0.03 0.15 0.20 -0.04 1.90 2.24 2ov7A1 ARG 53 HB3 0.02 -0.15 0.12 -0.04 1.80 1.76 2ov7A1 ARG 53 HG2 0.02 -0.03 0.12 -0.04 1.67 1.74 2ov7A1 ARG 53 HG3 0.03 0.02 0.12 -0.04 1.67 1.79 2ov7A1 ARG 53 HD2 0.02 -0.00 0.06 -0.04 3.22 3.25 2ov7A1 ARG 53 HD3 0.02 0.02 0.01 -0.04 3.22 3.23 2ov7A1 SER 54 H 0.02 0.11 0.19 -0.55 8.46 8.23 2ov7A1 SER 54 HA 0.02 0.19 0.37 -0.75 4.49 4.31 2ov7A1 SER 54 HB2 0.01 0.04 0.13 -0.04 3.95 4.08 2ov7A1 SER 54 HB3 0.01 -0.05 0.10 -0.04 3.93 3.95 2ov7A1 ASP 55 H 0.02 -0.08 -0.18 -0.55 8.40 7.61 2ov7A1 ASP 55 HA 0.02 0.28 0.94 -0.75 4.63 5.11 2ov7A1 ASP 55 HB2 0.02 0.04 0.08 -0.04 2.71 2.81 2ov7A1 ASP 55 HB3 0.01 -0.01 -0.02 -0.04 2.70 2.64 2ov7A1 GLN 56 H 0.03 -0.05 -0.19 -0.55 8.47 7.71 2ov7A1 GLN 56 HA 0.06 0.19 0.65 -0.75 4.36 4.50 2ov7A1 GLN 56 HB2 0.04 -0.01 0.23 -0.04 2.15 2.37 2ov7A1 GLN 56 HB3 0.07 0.01 0.17 -0.04 2.02 2.23 2ov7A1 GLN 56 HG2 0.05 0.08 -0.00 -0.04 2.40 2.48 2ov7A1 GLN 56 HG3 0.04 -0.11 -0.00 -0.04 2.39 2.27 2ov7A1 GLN 56 HE21 0.04 0.02 0.02 -0.04 6.97 7.01 2ov7A1 GLN 56 HE22 0.04 0.02 0.01 -0.04 7.69 7.71 2ov7A1 ASN 57 H 0.06 0.45 -0.19 -0.55 8.53 8.30 2ov7A1 ASN 57 HA 0.06 0.15 0.88 -0.75 4.76 5.10 2ov7A1 ASN 57 HB2 0.04 0.01 -0.08 -0.04 2.88 2.81 2ov7A1 ASN 57 HB3 0.04 -0.01 -0.10 -0.04 2.79 2.67 2ov7A1 ASN 57 HD21 0.02 0.03 -0.15 -0.04 7.03 6.89 2ov7A1 ASN 57 HD22 0.02 -0.03 -0.13 -0.04 7.74 7.57 2ov7A1 VAL 58 H 0.08 0.13 0.14 -0.55 8.24 8.03 2ov7A1 VAL 58 HA 0.16 0.22 0.91 -0.75 4.13 4.67 2ov7A1 VAL 58 HB 0.11 -0.10 0.11 -0.04 2.12 2.20 2ov7A1 VAL 58 HG13 -0.03 0.01 -0.16 -0.04 0.97 0.76 2ov7A1 VAL 58 HG23 0.27 0.03 -0.10 -0.04 0.95 1.11 2ov7A1 ARG 59 H 0.07 0.32 0.19 -0.55 8.46 8.49 2ov7A1 ARG 59 HA -0.15 0.35 0.78 -0.75 4.34 4.56 2ov7A1 ARG 59 HB2 -0.01 0.01 -0.20 -0.04 1.90 1.66 2ov7A1 ARG 59 HB3 -0.02 -0.01 0.03 -0.04 1.80 1.76 2ov7A1 ARG 59 HG2 -0.11 0.00 -0.06 -0.04 1.67 1.47 2ov7A1 ARG 59 HG3 -0.06 -0.03 0.03 -0.04 1.67 1.58 2ov7A1 ARG 59 HD2 -0.03 -0.01 -0.08 -0.04 3.22 3.06 2ov7A1 ARG 59 HD3 -0.03 -0.04 -0.06 -0.04 3.22 3.05 2ov7A1 GLY 60 H -0.58 0.43 0.31 -0.55 8.43 8.05 2ov7A1 GLY 60 HA2 -0.16 0.04 0.42 -0.51 4.01 3.80 2ov7A1 GLY 60 HA3 -0.26 0.11 0.44 -0.51 4.01 3.79 2ov7A1 THR 61 H -0.11 0.26 0.23 -0.55 8.28 8.11 2ov7A1 THR 61 HA -0.10 0.45 0.91 -0.75 4.39 4.90 2ov7A1 THR 61 HB 0.01 -0.07 -0.08 -0.04 4.32 4.14 2ov7A1 THR 61 HG23 -0.07 -0.01 -0.24 -0.04 1.22 0.86 2ov7A1 VAL 62 H 0.16 0.20 0.20 -0.55 8.24 8.25 2ov7A1 VAL 62 HA 0.12 0.11 0.72 -0.75 4.13 4.33 2ov7A1 VAL 62 HB 0.32 0.08 -0.17 -0.04 2.12 2.30 2ov7A1 VAL 62 HG13 0.34 0.01 -0.05 -0.04 0.97 1.23 2ov7A1 VAL 62 HG23 0.12 0.05 -0.19 -0.04 0.95 0.89 2ov7A1 SER 63 H 0.06 0.18 0.03 -0.55 8.46 8.19 2ov7A1 SER 63 HA 0.04 0.04 0.47 -0.75 4.49 4.29 2ov7A1 SER 63 HB2 0.03 -0.01 0.13 -0.04 3.95 4.06 2ov7A1 SER 63 HB3 0.02 0.10 -0.02 -0.04 3.93 3.99 2ov7A1 LEU 64 H 0.05 0.35 0.06 -0.55 8.37 8.29 2ov7A1 LEU 64 HA 0.04 0.06 0.37 -0.75 4.35 4.07 2ov7A1 LEU 64 HB2 0.05 0.08 -0.14 -0.04 1.64 1.59 2ov7A1 LEU 64 HB3 0.06 -0.10 -0.09 -0.04 1.64 1.47 2ov7A1 LEU 64 HG 0.05 0.07 0.07 -0.04 1.64 1.79 2ov7A1 LEU 64 HD13 -0.02 0.02 -0.01 -0.04 0.93 0.87 2ov7A1 LEU 64 HD23 0.06 -0.02 -0.05 -0.04 0.89 0.85 2ov7A1 PRO 65 HA -0.14 0.09 0.35 -0.51 4.44 4.23 2ov7A1 PRO 65 HB2 -0.62 -0.01 -0.04 -0.04 2.28 1.57 2ov7A1 PRO 65 HB3 -0.15 0.02 0.09 -0.04 2.02 1.95 2ov7A1 PRO 65 HG2 0.04 -0.01 -0.11 -0.04 2.03 1.91 2ov7A1 PRO 65 HG3 0.00 0.06 -0.04 -0.04 2.03 2.01 2ov7A1 PRO 65 HD2 0.04 0.06 0.12 -0.04 3.68 3.86 2ov7A1 PRO 65 HD3 0.00 0.18 0.15 -0.04 3.65 3.94 2ov7A1 HIS 66 H 0.04 0.09 -0.57 -0.55 8.41 7.43 2ov7A1 HIS 66 HA 0.08 0.16 0.85 -0.75 4.63 4.96 2ov7A1 HIS 66 HB2 0.24 0.03 0.12 -0.04 3.26 3.61 2ov7A1 HIS 66 HB3 0.20 -0.04 0.07 -0.04 3.20 3.39 2ov7A1 HIS 66 HD2 0.07 0.09 -0.00 -0.04 6.97 7.09 2ov7A1 HIS 66 HE1 0.02 -0.01 -0.05 -0.04 7.75 7.66 2ov7A1 GLY 67 H 0.08 0.32 -0.06 -0.55 8.43 8.23 2ov7A1 GLY 67 HA2 0.11 -0.05 0.24 -0.51 4.01 3.81 2ov7A1 GLY 67 HA3 0.13 0.14 0.79 -0.51 4.01 4.56 2ov7A1 GLY 159 H 0.05 0.06 0.10 -0.55 8.43 8.10 2ov7A1 GLY 159 HA2 0.03 0.14 0.65 -0.51 4.01 4.32 2ov7A1 GLY 159 HA3 0.03 -0.00 0.37 -0.51 4.01 3.91 2ov7A1 ARG 160 H 0.03 0.07 0.15 -0.55 8.46 8.15 2ov7A1 ARG 160 HA 0.05 0.37 0.85 -0.75 4.34 4.86 2ov7A1 ARG 160 HB2 0.04 -0.06 -0.12 -0.04 1.90 1.72 2ov7A1 ARG 160 HB3 0.04 -0.03 -0.15 -0.04 1.80 1.62 2ov7A1 ARG 160 HG2 0.02 -0.04 0.07 -0.04 1.67 1.67 2ov7A1 ARG 160 HG3 0.02 0.01 -0.09 -0.04 1.67 1.57 2ov7A1 ARG 160 HD2 0.01 0.00 -0.06 -0.04 3.22 3.13 2ov7A1 ARG 160 HD3 0.01 -0.00 -0.13 -0.04 3.22 3.06 2ov7A1 ILE 161 H 0.10 0.26 0.29 -0.55 8.25 8.35 2ov7A1 ILE 161 HA 0.03 0.14 1.02 -0.75 4.18 4.62 2ov7A1 ILE 161 HB 0.01 0.05 0.04 -0.04 1.89 1.95 2ov7A1 ILE 161 HG12 0.07 0.04 0.13 -0.04 1.49 1.69 2ov7A1 ILE 161 HG13 0.25 -0.09 0.12 -0.04 1.21 1.45 2ov7A1 ILE 161 HG23 -0.03 0.08 -0.08 -0.04 0.93 0.86 2ov7A1 ILE 161 HD13 -0.19 0.06 -0.07 -0.04 0.88 0.64 2ov7A1 GLU 162 H 0.01 0.13 0.19 -0.55 8.60 8.39 2ov7A1 GLU 162 HA -0.10 0.32 0.94 -0.75 4.29 4.69 2ov7A1 GLU 162 HB2 -0.02 -0.03 0.17 -0.04 2.09 2.16 2ov7A1 GLU 162 HB3 -0.06 0.02 0.02 -0.04 1.99 1.93 2ov7A1 GLU 162 HG2 -0.05 0.03 -0.07 -0.04 2.34 2.21 2ov7A1 GLU 162 HG3 -0.02 -0.04 -0.02 -0.04 2.34 2.22 2ov7A1 PHE 163 H -0.45 0.54 0.32 -0.55 8.34 8.20 2ov7A1 PHE 163 HA -0.09 0.13 0.89 -0.75 4.62 4.80 2ov7A1 PHE 163 HB2 0.07 0.01 -0.04 -0.04 3.15 3.14 2ov7A1 PHE 163 HB3 0.02 0.07 -0.15 -0.04 3.06 2.96 2ov7A1 PHE 163 HD2 0.02 0.02 -0.25 -0.04 7.28 7.03 2ov7A1 PHE 163 HE2 -0.16 -0.01 -0.23 -0.04 7.38 6.93 2ov7A1 PHE 163 HZ -0.03 0.04 -0.29 -0.04 7.32 7.01 2ov7A1 ARG 164 H 0.03 0.23 0.21 -0.55 8.46 8.38 2ov7A1 ARG 164 HA 0.02 0.42 0.94 -0.75 4.34 4.96 2ov7A1 ARG 164 HB2 0.01 0.08 0.06 -0.04 1.90 2.01 2ov7A1 ARG 164 HB3 -0.03 -0.06 -0.00 -0.04 1.80 1.67 2ov7A1 ARG 164 HG2 -0.00 -0.04 -0.02 -0.04 1.67 1.56 2ov7A1 ARG 164 HG3 0.02 -0.04 -0.03 -0.04 1.67 1.58 2ov7A1 ARG 164 HD2 0.01 -0.01 -0.06 -0.04 3.22 3.11 2ov7A1 ARG 164 HD3 0.02 -0.05 -0.07 -0.04 3.22 3.08 2ov7A1 ASN 165 H 0.05 0.45 0.22 -0.55 8.53 8.71 2ov7A1 ASN 165 HA 0.06 0.08 0.43 -0.75 4.76 4.57 2ov7A1 ASN 165 HB2 0.04 0.07 -0.03 -0.04 2.88 2.92 2ov7A1 ASN 165 HB3 0.06 -0.02 0.09 -0.04 2.79 2.88 2ov7A1 ASN 165 HD21 0.04 0.07 0.05 -0.04 7.03 7.15 2ov7A1 ASN 165 HD22 0.04 0.04 -0.05 -0.04 7.74 7.72 2ov7A1 ASP 166 H 0.06 0.32 0.44 -0.55 8.40 8.68 2ov7A1 ASP 166 HA 0.05 0.04 0.64 -0.75 4.63 4.60 2ov7A1 ASP 166 HB2 0.08 0.05 0.22 -0.04 2.71 3.02 2ov7A1 ASP 166 HB3 0.06 -0.06 0.13 -0.04 2.70 2.79 2ov7A1 LYS 167 H 0.03 0.13 0.17 -0.55 8.42 8.20 2ov7A1 LYS 167 HA 0.03 0.15 0.18 -0.75 4.32 3.92 2ov7A1 LYS 167 HB2 0.02 -0.06 0.17 -0.04 1.87 1.96 2ov7A1 LYS 167 HB3 0.02 0.02 0.25 -0.04 1.79 2.04 2ov7A1 LYS 167 HG2 0.02 0.19 0.12 -0.04 1.46 1.75 2ov7A1 LYS 167 HG3 0.02 -0.04 0.12 -0.04 1.46 1.52 2ov7A1 LYS 167 HD2 0.02 -0.08 0.07 -0.04 1.69 1.66 2ov7A1 LYS 167 HD3 0.02 0.01 0.09 -0.04 1.68 1.75 2ov7A1 LYS 167 HE2 0.01 -0.06 0.03 -0.04 2.99 2.94 2ov7A1 LYS 167 HE3 0.02 0.15 0.05 -0.04 2.99 3.16 2ov7A1 THR 168 H 0.03 0.28 -0.46 -0.55 8.28 7.59 2ov7A1 THR 168 HA 0.02 0.18 0.83 -0.75 4.39 4.67 2ov7A1 THR 168 HB 0.03 -0.08 0.06 -0.04 4.32 4.28 2ov7A1 THR 168 HG23 0.01 0.01 0.09 -0.04 1.22 1.29 2ov7A1 GLY 169 H 0.02 0.48 0.18 -0.55 8.43 8.57 2ov7A1 GLY 169 HA2 0.01 0.02 0.32 -0.51 4.01 3.85 2ov7A1 GLY 169 HA3 0.00 0.24 0.79 -0.51 4.01 4.53 2ov7A1 ALA 170 H 0.04 -0.05 -0.18 -0.55 8.40 7.67 2ov7A1 ALA 170 HA 0.03 0.23 0.90 -0.75 4.34 4.74 2ov7A1 ALA 170 HB3 0.08 -0.02 -0.09 -0.04 1.41 1.34 2ov7A1 ILE 171 H 0.08 0.57 0.32 -0.55 8.25 8.67 2ov7A1 ILE 171 HA 0.09 0.08 0.94 -0.75 4.18 4.53 2ov7A1 ILE 171 HB 0.08 -0.00 -0.18 -0.04 1.89 1.74 2ov7A1 ILE 171 HG12 0.22 -0.05 -0.21 -0.04 1.49 1.41 2ov7A1 ILE 171 HG13 0.15 0.06 -0.30 -0.04 1.21 1.08 2ov7A1 ILE 171 HG23 0.03 0.02 0.04 -0.04 0.93 0.98 2ov7A1 ILE 171 HD13 0.03 0.03 0.16 -0.04 0.88 1.05 2ov7A1 HIS 172 H -0.04 0.16 0.24 -0.55 8.41 8.22 2ov7A1 HIS 172 HA -0.24 0.53 1.15 -0.75 4.63 5.33 2ov7A1 HIS 172 HB2 -0.50 -0.02 0.03 -0.04 3.26 2.73 2ov7A1 HIS 172 HB3 -0.05 -0.06 -0.03 -0.04 3.20 3.02 2ov7A1 HIS 172 HD2 -0.11 -0.03 -0.22 -0.04 6.97 6.56 2ov7A1 HIS 172 HE1 0.02 -0.01 0.03 -0.04 7.75 7.75 2ov7A1 ALA 173 H -0.31 0.20 0.23 -0.55 8.40 7.97 2ov7A1 ALA 173 HA -0.28 0.11 0.51 -0.75 4.34 3.93 2ov7A1 ALA 173 HB3 -0.94 0.05 -0.09 -0.04 1.41 0.38 2ov7A1 PRO 174 HA -0.14 0.19 0.71 -0.51 4.44 4.69 2ov7A1 PRO 174 HB2 -0.09 -0.02 0.06 -0.04 2.28 2.19 2ov7A1 PRO 174 HB3 -0.05 0.01 0.11 -0.04 2.02 2.05 2ov7A1 PRO 174 HG2 -0.07 0.03 0.16 -0.04 2.03 2.11 2ov7A1 PRO 174 HG3 -0.03 0.03 0.11 -0.04 2.03 2.10 2ov7A1 PRO 174 HD2 -0.13 0.15 0.25 -0.04 3.68 3.90 2ov7A1 PRO 174 HD3 -0.03 0.11 0.14 -0.04 3.65 3.83 2ov7A1 VAL 175 H -0.17 0.76 0.34 -0.55 8.24 8.62 2ov7A1 VAL 175 HA -0.15 0.21 0.86 -0.75 4.13 4.29 2ov7A1 VAL 175 HB -0.10 -0.08 -0.00 -0.04 2.12 1.90 2ov7A1 VAL 175 HG13 -0.20 0.03 -0.27 -0.04 0.97 0.49 2ov7A1 VAL 175 HG23 -0.12 -0.00 -0.25 -0.04 0.95 0.53 2ov7A1 GLY 176 H -0.24 0.12 0.01 -0.55 8.43 7.78 2ov7A1 GLY 176 HA2 -0.74 0.03 0.30 -0.51 4.01 3.09 2ov7A1 GLY 176 HA3 -0.93 0.23 0.94 -0.51 4.01 3.74 2ov7A1 LYS 177 H -1.24 0.16 0.20 -0.55 8.42 6.99 2ov7A1 LYS 177 HA -0.12 0.22 1.00 -0.75 4.32 4.66 2ov7A1 LYS 177 HB2 0.32 -0.09 0.05 -0.04 1.87 2.10 2ov7A1 LYS 177 HB3 0.05 -0.01 0.05 -0.04 1.79 1.84 2ov7A1 LYS 177 HG2 -0.01 -0.07 -0.19 -0.04 1.46 1.15 2ov7A1 LYS 177 HG3 0.19 0.03 -0.06 -0.04 1.46 1.59 2ov7A1 LYS 177 HD2 -0.04 0.06 -0.15 -0.04 1.69 1.52 2ov7A1 LYS 177 HD3 0.01 0.01 -0.12 -0.04 1.68 1.55 2ov7A1 LYS 177 HE2 0.07 -0.03 -0.06 -0.04 2.99 2.92 2ov7A1 LYS 177 HE3 0.03 -0.06 -0.29 -0.04 2.99 2.63 2ov7A1 ALA 178 H -0.03 0.43 0.21 -0.55 8.40 8.46 2ov7A1 ALA 178 HA -0.03 0.14 0.43 -0.75 4.34 4.13 2ov7A1 ALA 178 HB3 -0.06 0.00 0.09 -0.04 1.41 1.40 2ov7A1 SER 179 H 0.09 -0.07 -0.23 -0.55 8.46 7.70 2ov7A1 SER 179 HA 0.02 0.17 0.49 -0.75 4.49 4.42 2ov7A1 SER 179 HB2 0.02 0.03 0.00 -0.04 3.95 3.96 2ov7A1 SER 179 HB3 0.03 -0.02 0.03 -0.04 3.93 3.93 2ov7A1 PHE 180 H 0.41 -0.02 -0.35 -0.55 8.34 7.83 2ov7A1 PHE 180 HA -0.05 0.01 0.36 -0.75 4.62 4.19 2ov7A1 PHE 180 HB2 -0.06 0.29 0.10 -0.04 3.15 3.44 2ov7A1 PHE 180 HB3 -0.09 0.04 -0.04 -0.04 3.06 2.93 2ov7A1 PHE 180 HD2 -0.05 -0.05 0.00 -0.04 7.28 7.14 2ov7A1 PHE 180 HE2 0.03 0.12 0.02 -0.04 7.38 7.50 2ov7A1 PHE 180 HZ 0.02 0.03 -0.01 -0.04 7.32 7.32 2ov7A1 PRO 181 HA -0.04 0.20 0.50 -0.51 4.44 4.59 2ov7A1 PRO 181 HB2 -0.09 -0.23 0.06 -0.04 2.28 1.97 2ov7A1 PRO 181 HB3 -0.06 0.06 0.13 -0.04 2.02 2.12 2ov7A1 PRO 181 HG2 -0.13 0.02 0.09 -0.04 2.03 1.97 2ov7A1 PRO 181 HG3 -0.09 0.11 0.11 -0.04 2.03 2.12 2ov7A1 PRO 181 HD2 -0.18 0.03 0.20 -0.04 3.68 3.69 2ov7A1 PRO 181 HD3 -0.21 0.17 0.20 -0.04 3.65 3.77 2ov7A1 PRO 182 HA -0.18 0.20 0.34 -0.51 4.44 4.28 2ov7A1 PRO 182 HB2 -0.68 -0.00 -0.06 -0.04 2.28 1.49 2ov7A1 PRO 182 HB3 -0.64 0.12 -0.02 -0.04 2.02 1.44 2ov7A1 PRO 182 HG2 -0.07 -0.07 0.11 -0.04 2.03 1.95 2ov7A1 PRO 182 HG3 -0.07 0.10 0.08 -0.04 2.03 2.09 2ov7A1 PRO 182 HD2 -0.05 0.05 0.25 -0.04 3.68 3.89 2ov7A1 PRO 182 HD3 -0.07 0.27 0.21 -0.04 3.65 4.02 2ov7A1 GLU 183 H -0.08 0.15 -0.16 -0.55 8.60 7.96 2ov7A1 GLU 183 HA -0.03 0.09 0.45 -0.75 4.29 4.05 2ov7A1 GLU 183 HB2 0.01 0.03 0.05 -0.04 2.09 2.14 2ov7A1 GLU 183 HB3 -0.00 0.02 0.06 -0.04 1.99 2.03 2ov7A1 GLU 183 HG2 -0.06 0.05 -0.21 -0.04 2.34 2.08 2ov7A1 GLU 183 HG3 -0.01 0.04 -0.04 -0.04 2.34 2.29 2ov7A1 LYS 184 H -0.10 0.19 -0.33 -0.55 8.42 7.63 2ov7A1 LYS 184 HA -0.31 0.09 0.50 -0.75 4.32 3.84 2ov7A1 LYS 184 HB2 -0.14 0.14 0.07 -0.04 1.87 1.90 2ov7A1 LYS 184 HB3 -0.59 0.03 0.01 -0.04 1.79 1.20 2ov7A1 LYS 184 HG2 -0.69 0.02 -0.02 -0.04 1.46 0.73 2ov7A1 LYS 184 HG3 -0.23 -0.09 -0.01 -0.04 1.46 1.10 2ov7A1 LYS 184 HD2 -0.24 0.01 0.05 -0.04 1.69 1.47 2ov7A1 LYS 184 HD3 -0.36 0.03 0.01 -0.04 1.68 1.31 2ov7A1 LYS 184 HE2 -0.03 0.02 -0.01 -0.04 2.99 2.93 2ov7A1 LYS 184 HE3 -0.10 -0.03 0.01 -0.04 2.99 2.83 2ov7A1 LEU 185 H -0.03 0.42 -0.19 -0.55 8.37 8.03 2ov7A1 LEU 185 HA -0.02 0.17 0.53 -0.75 4.35 4.28 2ov7A1 LEU 185 HB2 -0.05 0.09 0.10 -0.04 1.64 1.74 2ov7A1 LEU 185 HB3 -0.05 -0.04 -0.06 -0.04 1.64 1.45 2ov7A1 LEU 185 HG 0.05 -0.01 -0.11 -0.04 1.64 1.53 2ov7A1 LEU 185 HD13 -0.04 0.03 -0.10 -0.04 0.93 0.77 2ov7A1 LEU 185 HD23 -0.19 0.05 -0.04 -0.04 0.89 0.66 2ov7A1 ALA 186 H -0.02 0.38 -0.19 -0.55 8.40 8.02 2ov7A1 ALA 186 HA 0.01 0.03 0.33 -0.75 4.34 3.96 2ov7A1 ALA 186 HB3 0.01 0.04 0.02 -0.04 1.41 1.44 2ov7A1 ASP 187 H 0.06 0.29 -0.46 -0.55 8.40 7.74 2ov7A1 ASP 187 HA 0.08 0.03 0.49 -0.75 4.63 4.47 2ov7A1 ASP 187 HB2 0.33 0.20 0.12 -0.04 2.71 3.32 2ov7A1 ASP 187 HB3 0.17 -0.04 0.03 -0.04 2.70 2.82 2ov7A1 ASN 188 H 0.11 0.41 -0.20 -0.55 8.53 8.30 2ov7A1 ASN 188 HA 0.08 -0.01 0.52 -0.75 4.76 4.59 2ov7A1 ASN 188 HB2 0.00 0.21 0.23 -0.04 2.88 3.28 2ov7A1 ASN 188 HB3 -0.01 -0.06 0.07 -0.04 2.79 2.75 2ov7A1 ASN 188 HD21 0.19 0.08 0.01 -0.04 7.03 7.27 2ov7A1 ASN 188 HD22 -0.10 0.43 -0.03 -0.04 7.74 8.00 2ov7A1 ILE 189 H 0.03 0.48 -0.14 -0.55 8.25 8.07 2ov7A1 ILE 189 HA 0.06 0.06 0.43 -0.75 4.18 3.98 2ov7A1 ILE 189 HB 0.03 0.06 0.09 -0.04 1.89 2.03 2ov7A1 ILE 189 HG12 0.00 0.45 -0.02 -0.04 1.49 1.88 2ov7A1 ILE 189 HG13 0.00 -0.07 -0.11 -0.04 1.21 0.99 2ov7A1 ILE 189 HG23 0.03 -0.02 -0.13 -0.04 0.93 0.78 2ov7A1 ILE 189 HD13 -0.02 -0.02 -0.15 -0.04 0.88 0.64 2ov7A1 ARG 190 H 0.04 0.50 -0.15 -0.55 8.46 8.30 2ov7A1 ARG 190 HA 0.01 0.04 0.37 -0.75 4.34 4.00 2ov7A1 ARG 190 HB2 0.04 0.09 0.17 -0.04 1.90 2.15 2ov7A1 ARG 190 HB3 0.02 -0.03 0.00 -0.04 1.80 1.75 2ov7A1 ARG 190 HG2 0.01 0.03 0.02 -0.04 1.67 1.69 2ov7A1 ARG 190 HG3 0.03 0.13 0.10 -0.04 1.67 1.88 2ov7A1 ARG 190 HD2 0.03 -0.02 -0.03 -0.04 3.22 3.17 2ov7A1 ARG 190 HD3 0.02 -0.01 -0.02 -0.04 3.22 3.18 2ov7A1 ALA 191 H 0.06 0.57 -0.13 -0.55 8.40 8.35 2ov7A1 ALA 191 HA 0.03 0.01 0.37 -0.75 4.34 4.00 2ov7A1 ALA 191 HB3 0.06 0.02 0.07 -0.04 1.41 1.52 2ov7A1 PHE 192 H 0.15 0.40 -0.45 -0.55 8.34 7.88 2ov7A1 PHE 192 HA -0.12 0.05 0.50 -0.75 4.62 4.30 2ov7A1 PHE 192 HB2 -0.11 0.03 0.02 -0.04 3.15 3.05 2ov7A1 PHE 192 HB3 -0.10 0.15 0.11 -0.04 3.06 3.18 2ov7A1 PHE 192 HD2 -0.32 0.00 -0.10 -0.04 7.28 6.82 2ov7A1 PHE 192 HE2 -0.77 -0.00 -0.18 -0.04 7.38 6.38 2ov7A1 PHE 192 HZ -0.31 0.01 -0.28 -0.04 7.32 6.70 2ov7A1 ILE 193 H -0.02 0.57 -0.05 -0.55 8.25 8.19 2ov7A1 ILE 193 HA -0.37 0.01 0.41 -0.75 4.18 3.47 2ov7A1 ILE 193 HB -0.06 0.08 0.17 -0.04 1.89 2.04 2ov7A1 ILE 193 HG12 -0.09 -0.06 -0.02 -0.04 1.49 1.27 2ov7A1 ILE 193 HG13 0.00 0.13 0.04 -0.04 1.21 1.34 2ov7A1 ILE 193 HG23 -0.11 0.00 -0.09 -0.04 0.93 0.69 2ov7A1 ILE 193 HD13 -0.03 -0.04 -0.13 -0.04 0.88 0.64 2ov7A1 ARG 194 H -0.05 0.73 -0.12 -0.55 8.46 8.46 2ov7A1 ARG 194 HA -0.03 0.01 0.35 -0.75 4.34 3.91 2ov7A1 ARG 194 HB2 -0.00 0.09 0.05 -0.04 1.90 2.00 2ov7A1 ARG 194 HB3 -0.00 -0.04 -0.01 -0.04 1.80 1.71 2ov7A1 ARG 194 HG2 -0.01 -0.05 -0.00 -0.04 1.67 1.57 2ov7A1 ARG 194 HG3 -0.01 0.15 0.05 -0.04 1.67 1.82 2ov7A1 ARG 194 HD2 0.01 -0.04 -0.05 -0.04 3.22 3.10 2ov7A1 ARG 194 HD3 0.01 -0.00 -0.10 -0.04 3.22 3.09 2ov7A1 ALA 195 H -0.07 0.29 -0.51 -0.55 8.40 7.56 2ov7A1 ALA 195 HA 0.11 0.03 0.49 -0.75 4.34 4.21 2ov7A1 ALA 195 HB3 0.13 0.05 0.04 -0.04 1.41 1.59 2ov7A1 LEU 196 H -0.31 0.46 -0.23 -0.55 8.37 7.75 2ov7A1 LEU 196 HA -0.00 0.04 0.42 -0.75 4.35 4.05 2ov7A1 LEU 196 HB2 -0.22 0.16 0.13 -0.04 1.64 1.67 2ov7A1 LEU 196 HB3 0.08 -0.06 -0.08 -0.04 1.64 1.53 2ov7A1 LEU 196 HG -1.43 0.22 -0.03 -0.04 1.64 0.35 2ov7A1 LEU 196 HD13 -0.61 -0.03 -0.11 -0.04 0.93 0.15 2ov7A1 LEU 196 HD23 -0.43 -0.02 -0.12 -0.04 0.89 0.28 2ov7A1 GLU 197 H -0.03 0.56 -0.12 -0.55 8.60 8.46 2ov7A1 GLU 197 HA -0.19 -0.01 0.30 -0.75 4.29 3.63 2ov7A1 GLU 197 HB2 -0.03 0.10 0.07 -0.04 2.09 2.19 2ov7A1 GLU 197 HB3 -0.05 -0.05 0.04 -0.04 1.99 1.90 2ov7A1 GLU 197 HG2 0.07 -0.09 -0.01 -0.04 2.34 2.27 2ov7A1 GLU 197 HG3 0.01 0.18 0.02 -0.04 2.34 2.51 2ov7A1 ALA 198 H 0.03 0.26 -0.73 -0.55 8.40 7.41 2ov7A1 ALA 198 HA -0.09 0.05 0.57 -0.75 4.34 4.11 2ov7A1 ALA 198 HB3 -0.01 0.05 0.08 -0.04 1.41 1.49 2ov7A1 HIS 199 H 0.11 0.47 -0.35 -0.55 8.41 8.09 2ov7A1 HIS 199 HA -0.05 0.11 0.62 -0.75 4.63 4.55 2ov7A1 HIS 199 HB2 0.13 0.15 0.11 -0.04 3.26 3.61 2ov7A1 HIS 199 HB3 0.10 -0.10 0.14 -0.04 3.20 3.29 2ov7A1 HIS 199 HD2 0.04 -0.07 0.08 -0.04 6.97 6.98 2ov7A1 HIS 199 HE1 0.12 -0.05 -0.05 -0.04 7.75 7.73 2ov7A1 LYS 200 H -0.38 0.21 -0.68 -0.55 8.42 7.02 2ov7A1 LYS 200 HA -0.98 0.00 0.41 -0.75 4.32 3.00 2ov7A1 LYS 200 HB2 -0.77 0.01 0.08 -0.04 1.87 1.15 2ov7A1 LYS 200 HB3 -0.30 0.02 0.04 -0.04 1.79 1.51 2ov7A1 LYS 200 HG2 -0.13 0.18 -0.11 -0.04 1.46 1.35 2ov7A1 LYS 200 HG3 -0.27 -0.12 0.03 -0.04 1.46 1.06 2ov7A1 LYS 200 HD2 -0.13 -0.07 0.05 -0.04 1.69 1.50 2ov7A1 LYS 200 HD3 -0.10 0.00 0.01 -0.04 1.68 1.54 2ov7A1 LYS 200 HE2 0.01 0.16 0.06 -0.04 2.99 3.18 2ov7A1 LYS 200 HE3 0.10 -0.06 0.05 -0.04 2.99 3.04 2ov7A1 PRO 201 HA 0.01 -0.01 0.36 -0.51 4.44 4.29 2ov7A1 PRO 201 HB2 0.03 -0.02 -0.11 -0.04 2.28 2.13 2ov7A1 PRO 201 HB3 0.06 -0.03 0.06 -0.04 2.02 2.06 2ov7A1 PRO 201 HG2 0.10 0.09 -0.04 -0.04 2.03 2.14 2ov7A1 PRO 201 HG3 0.15 -0.01 -0.01 -0.04 2.03 2.12 2ov7A1 PRO 201 HD2 0.06 0.03 0.19 -0.04 3.68 3.91 2ov7A1 PRO 201 HD3 0.21 0.17 0.15 -0.04 3.65 4.14 2ov7A1 GLU 202 H -0.01 0.08 0.14 -0.55 8.60 8.27 2ov7A1 GLU 202 HA -0.03 0.12 0.44 -0.75 4.29 4.06 2ov7A1 GLU 202 HB2 -0.01 -0.06 0.19 -0.04 2.09 2.17 2ov7A1 GLU 202 HB3 -0.02 -0.00 0.06 -0.04 1.99 1.99 2ov7A1 GLU 202 HG2 -0.02 0.01 0.11 -0.04 2.34 2.39 2ov7A1 GLU 202 HG3 -0.02 -0.03 0.06 -0.04 2.34 2.32 2ov7A1 GLY 203 H -0.02 0.23 0.15 -0.55 8.43 8.24 2ov7A1 GLY 203 HA2 -0.01 -0.02 0.35 -0.51 4.01 3.82 2ov7A1 GLY 203 HA3 -0.01 0.06 0.42 -0.51 4.01 3.97 2ov7A1 ALA 204 H 0.00 0.26 -0.80 -0.55 8.40 7.32 2ov7A1 ALA 204 HA 0.01 -0.04 0.36 -0.75 4.34 3.92 2ov7A1 ALA 204 HB3 0.03 -0.00 -0.07 -0.04 1.41 1.33 2ov7A1 LYS 205 H 0.01 0.08 0.21 -0.55 8.42 8.17 2ov7A1 LYS 205 HA 0.02 0.17 0.78 -0.75 4.32 4.53 2ov7A1 LYS 205 HB2 0.01 -0.05 0.12 -0.04 1.87 1.91 2ov7A1 LYS 205 HB3 0.01 -0.03 0.03 -0.04 1.79 1.75 2ov7A1 LYS 205 HG2 0.00 0.02 -0.02 -0.04 1.46 1.42 2ov7A1 LYS 205 HG3 0.00 0.21 0.05 -0.04 1.46 1.68 2ov7A1 LYS 205 HD2 0.00 -0.04 0.03 -0.04 1.69 1.64 2ov7A1 LYS 205 HD3 0.00 -0.03 0.01 -0.04 1.68 1.62 2ov7A1 LYS 205 HE2 -0.00 0.00 0.00 -0.04 2.99 2.95 2ov7A1 LYS 205 HE3 -0.00 0.05 0.03 -0.04 2.99 3.03 2ov7A1 GLY 206 H 0.04 0.28 0.19 -0.55 8.43 8.39 2ov7A1 GLY 206 HA2 0.03 0.01 0.27 -0.51 4.01 3.82 2ov7A1 GLY 206 HA3 0.05 0.15 0.43 -0.51 4.01 4.13 2ov7A1 THR 207 H 0.05 0.17 0.05 -0.55 8.28 8.00 2ov7A1 THR 207 HA 0.08 0.07 0.58 -0.75 4.39 4.37 2ov7A1 THR 207 HB 0.03 0.02 0.13 -0.04 4.32 4.46 2ov7A1 THR 207 HG23 0.05 -0.00 -0.20 -0.04 1.22 1.02 2ov7A1 PHE 208 H 0.22 0.27 0.18 -0.55 8.34 8.46 2ov7A1 PHE 208 HA 0.02 0.04 0.47 -0.75 4.62 4.39 2ov7A1 PHE 208 HB2 0.02 0.09 0.06 -0.04 3.15 3.28 2ov7A1 PHE 208 HB3 0.02 -0.02 0.09 -0.04 3.06 3.11 2ov7A1 PHE 208 HD2 0.00 -0.02 -0.12 -0.04 7.28 7.10 2ov7A1 PHE 208 HE2 -0.01 -0.01 -0.26 -0.04 7.38 7.06 2ov7A1 PHE 208 HZ 0.03 0.02 -0.17 -0.04 7.32 7.17 2ov7A1 LEU 209 H 0.12 0.09 -0.13 -0.55 8.37 7.90 2ov7A1 LEU 209 HA -0.21 0.21 0.80 -0.75 4.35 4.39 2ov7A1 LEU 209 HB2 0.02 -0.03 0.08 -0.04 1.64 1.67 2ov7A1 LEU 209 HB3 -0.06 0.03 -0.11 -0.04 1.64 1.45 2ov7A1 LEU 209 HG 0.24 -0.07 -0.20 -0.04 1.64 1.57 2ov7A1 LEU 209 HD13 -0.03 0.01 -0.06 -0.04 0.93 0.80 2ov7A1 LEU 209 HD23 -0.15 0.02 -0.16 -0.04 0.89 0.57 2ov7A1 ARG 210 H -0.10 0.50 0.05 -0.55 8.46 8.36 2ov7A1 ARG 210 HA -0.00 0.01 0.40 -0.75 4.34 3.99 2ov7A1 ARG 210 HB2 -0.01 -0.00 0.14 -0.04 1.90 1.98 2ov7A1 ARG 210 HB3 0.00 -0.06 -0.00 -0.04 1.80 1.70 2ov7A1 ARG 210 HG2 -0.07 0.05 -0.15 -0.04 1.67 1.46 2ov7A1 ARG 210 HG3 -0.02 0.03 -0.14 -0.04 1.67 1.50 2ov7A1 ARG 210 HD2 -0.00 -0.07 -0.08 -0.04 3.22 3.03 2ov7A1 ARG 210 HD3 -0.01 0.06 0.01 -0.04 3.22 3.25 2ov7A1 SER 211 H -0.01 0.25 0.16 -0.55 8.46 8.31 2ov7A1 SER 211 HA -0.08 0.21 0.88 -0.75 4.49 4.74 2ov7A1 SER 211 HB2 0.16 -0.07 0.06 -0.04 3.95 4.05 2ov7A1 SER 211 HB3 0.07 0.03 -0.00 -0.04 3.93 3.98 2ov7A1 VAL 212 H -0.27 0.27 0.18 -0.55 8.24 7.87 2ov7A1 VAL 212 HA 0.03 0.29 0.99 -0.75 4.13 4.68 2ov7A1 VAL 212 HB -0.10 0.10 0.08 -0.04 2.12 2.16 2ov7A1 VAL 212 HG13 0.01 -0.01 -0.16 -0.04 0.97 0.77 2ov7A1 VAL 212 HG23 -0.07 0.00 -0.27 -0.04 0.95 0.57 2ov7A1 TYR 213 H 0.22 0.55 0.27 -0.55 8.29 8.79 2ov7A1 TYR 213 HA 0.05 0.21 0.99 -0.75 4.56 5.05 2ov7A1 TYR 213 HB2 0.09 -0.01 0.05 -0.04 3.06 3.14 2ov7A1 TYR 213 HB3 0.04 -0.03 -0.14 -0.04 2.98 2.80 2ov7A1 TYR 213 HD2 0.04 0.04 -0.26 -0.04 7.15 6.92 2ov7A1 TYR 213 HE2 0.02 0.01 -0.10 -0.04 6.85 6.74 2ov7A1 VAL 214 H 0.12 0.78 0.32 -0.55 8.24 8.91 2ov7A1 VAL 214 HA 0.10 0.33 1.14 -0.75 4.13 4.94 2ov7A1 VAL 214 HB 0.02 -0.00 0.12 -0.04 2.12 2.21 2ov7A1 VAL 214 HG13 -0.01 0.00 -0.21 -0.04 0.97 0.71 2ov7A1 VAL 214 HG23 0.03 -0.02 -0.16 -0.04 0.95 0.76 2ov7A1 THR 215 H 0.09 0.64 0.32 -0.55 8.28 8.78 2ov7A1 THR 215 HA 0.02 0.15 0.62 -0.75 4.39 4.42 2ov7A1 THR 215 HB 0.04 -0.13 -0.23 -0.04 4.32 3.96 2ov7A1 THR 215 HG23 0.08 -0.02 -0.23 -0.04 1.22 1.00 2ov7A1 THR 216 H 0.00 0.20 0.07 -0.55 8.28 8.01 2ov7A1 THR 216 HA -0.00 0.35 0.87 -0.75 4.39 4.85 2ov7A1 THR 216 HB -0.04 -0.23 0.09 -0.04 4.32 4.10 2ov7A1 THR 216 HG23 -0.05 0.02 -0.21 -0.04 1.22 0.94 2ov7A1 THR 217 H 0.01 0.13 0.19 -0.55 8.28 8.07 2ov7A1 THR 217 HA 0.05 0.15 0.47 -0.75 4.39 4.30 2ov7A1 THR 217 HB 0.11 0.03 0.08 -0.04 4.32 4.50 2ov7A1 THR 217 HG23 0.06 0.04 0.09 -0.04 1.22 1.36 2ov7A1 MET 218 H 0.02 0.00 -0.09 -0.55 8.47 7.86 2ov7A1 MET 218 HA 0.09 0.25 0.87 -0.75 4.52 4.97 2ov7A1 MET 218 HB2 0.02 -0.07 0.11 -0.04 2.15 2.17 2ov7A1 MET 218 HB3 0.10 0.02 0.21 -0.04 2.03 2.31 2ov7A1 MET 218 HG2 0.27 -0.02 -0.24 -0.04 2.63 2.59 2ov7A1 MET 218 HG3 0.42 -0.04 -0.00 -0.04 2.56 2.89 2ov7A1 MET 218 HE3 0.11 -0.01 0.03 -0.04 2.10 2.19 2ov7A1 GLY 219 H 0.07 0.23 -0.34 -0.55 8.43 7.84 2ov7A1 GLY 219 HA2 0.07 0.20 0.92 -0.51 4.01 4.69 2ov7A1 GLY 219 HA3 0.01 0.10 0.34 -0.51 4.01 3.94 2ov7A1 PRO 220 HA 0.02 0.06 0.56 -0.51 4.44 4.58 2ov7A1 PRO 220 HB2 -0.10 0.12 -0.03 -0.04 2.28 2.23 2ov7A1 PRO 220 HB3 -0.31 -0.01 0.03 -0.04 2.02 1.68 2ov7A1 PRO 220 HG2 -0.10 0.06 -0.04 -0.04 2.03 1.90 2ov7A1 PRO 220 HG3 -0.20 0.01 -0.17 -0.04 2.03 1.63 2ov7A1 PRO 220 HD2 -0.07 0.13 0.26 -0.04 3.68 3.95 2ov7A1 PRO 220 HD3 -0.18 0.14 0.21 -0.04 3.65 3.77 2ov7A1 SER 221 H -0.01 0.08 0.13 -0.55 8.46 8.11 2ov7A1 SER 221 HA 0.02 0.14 0.47 -0.75 4.49 4.36 2ov7A1 SER 221 HB2 -0.09 0.01 0.00 -0.04 3.95 3.83 2ov7A1 SER 221 HB3 -0.04 -0.00 0.03 -0.04 3.93 3.87 2ov7A1 VAL 222 H 0.11 0.31 0.12 -0.55 8.24 8.22 2ov7A1 VAL 222 HA 0.07 0.19 0.94 -0.75 4.13 4.56 2ov7A1 VAL 222 HB -0.05 0.09 0.24 -0.04 2.12 2.37 2ov7A1 VAL 222 HG13 -0.32 -0.02 -0.10 -0.04 0.97 0.48 2ov7A1 VAL 222 HG23 -0.12 0.02 -0.19 -0.04 0.95 0.62 2ov7A1 ARG 223 H 0.18 0.24 0.15 -0.55 8.46 8.48 2ov7A1 ARG 223 HA -0.22 0.18 0.85 -0.75 4.34 4.40 2ov7A1 ARG 223 HB2 -0.11 -0.03 0.11 -0.04 1.90 1.83 2ov7A1 ARG 223 HB3 0.01 0.06 0.17 -0.04 1.80 2.00 2ov7A1 ARG 223 HG2 -0.16 -0.04 -0.13 -0.04 1.67 1.29 2ov7A1 ARG 223 HG3 -0.59 0.22 0.19 -0.04 1.67 1.45 2ov7A1 ARG 223 HD2 -0.32 -0.03 -0.00 -0.04 3.22 2.83 2ov7A1 ARG 223 HD3 -0.08 -0.00 -0.03 -0.04 3.22 3.06 2ov7A1 ILE 224 H -0.11 0.47 0.29 -0.55 8.25 8.35 2ov7A1 ILE 224 HA 0.07 0.24 0.97 -0.75 4.18 4.70 2ov7A1 ILE 224 HB 0.03 -0.08 -0.34 -0.04 1.89 1.46 2ov7A1 ILE 224 HG12 -0.02 -0.01 -0.51 -0.04 1.49 0.90 2ov7A1 ILE 224 HG13 0.01 -0.04 -0.25 -0.04 1.21 0.88 2ov7A1 ILE 224 HG23 0.04 0.02 -0.32 -0.04 0.93 0.63 2ov7A1 ILE 224 HD13 -0.02 0.07 -0.23 -0.04 0.88 0.66 2ov7A1 ASN 225 H 0.03 0.75 0.20 -0.55 8.53 8.97 2ov7A1 ASN 225 HA 0.00 0.19 0.69 -0.75 4.76 4.89 2ov7A1 ASN 225 HB2 0.03 0.13 0.04 -0.04 2.88 3.04 2ov7A1 ASN 225 HB3 0.03 -0.13 0.19 -0.04 2.79 2.84 2ov7A1 ASN 225 HD21 0.07 0.05 -0.08 -0.04 7.03 7.03 2ov7A1 ASN 225 HD22 0.04 0.01 -0.05 -0.04 7.74 7.70 2ov7A1 PRO 226 HA -0.10 0.07 0.40 -0.51 4.44 4.30 2ov7A1 PRO 226 HB2 -0.30 0.03 0.02 -0.04 2.28 1.99 2ov7A1 PRO 226 HB3 -0.15 0.02 0.01 -0.04 2.02 1.87 2ov7A1 PRO 226 HG2 -0.76 0.02 -0.04 -0.04 2.03 1.22 2ov7A1 PRO 226 HG3 -0.18 0.09 -0.01 -0.04 2.03 1.89 2ov7A1 PRO 226 HD2 -0.04 0.05 0.23 -0.04 3.68 3.88 2ov7A1 PRO 226 HD3 -0.09 0.41 0.26 -0.04 3.65 4.19 2ov7A1 HIS 227 H -0.05 0.03 -0.61 -0.55 8.41 7.24 2ov7A1 HIS 227 HA 0.01 0.22 0.68 -0.75 4.63 4.78 2ov7A1 HIS 227 HB2 0.00 -0.02 0.02 -0.04 3.26 3.23 2ov7A1 HIS 227 HB3 0.00 0.01 0.14 -0.04 3.20 3.31 2ov7A1 HIS 227 HD2 -0.00 0.00 -0.01 -0.04 6.97 6.92 2ov7A1 HIS 227 HE1 0.02 0.00 -0.04 -0.04 7.75 7.69 2ov7A1 SER 228 H 0.01 0.27 -0.49 -0.55 8.46 7.71 2ov7A1 SER 228 HA 0.05 0.28 0.71 -0.75 4.49 4.77 2ov7A1 SER 228 HB2 0.04 -0.04 0.12 -0.04 3.95 4.03 2ov7A1 SER 228 HB3 0.04 0.08 -0.07 -0.04 3.93 3.94